N,N-dipropyl-5-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-3-pyridinyl]thiophen-2-amine

C19H21F3N4S — CID 145155828

IUPACN,N-dipropyl-5-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-3-pyridinyl]thiophen-2-amine
SMILESCCCN(CCC)c1ccc(-c2ccc(-c3cc(C(F)(F)F)[nH]n3)nc2)s1
InChIInChI=1S/C19H21F3N4S/c1-3-9-26(10-4-2)18-8-7-16(27-18)13-5-6-14(23-12-13)15-11-17(25-24-15)19(20,21)22/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,24,25)
InChIKeyKNYMXTCGQWPAFU-UHFFFAOYSA-N
MW394.47 g/mol
LogP5.85
Rot. Bonds7

About N,N-dipropyl-5-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-3-pyridinyl]thiophen-2-amine

N,N-dipropyl-5-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-3-pyridinyl]thiophen-2-amine (PubChem CID 145155828) has the molecular formula C19H21F3N4S and a molecular weight of 394.47 g/mol. Its IUPAC name is N,N-dipropyl-5-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-3-pyridinyl]thiophen-2-amine.

Molecular Properties

Compound NameN,N-dipropyl-5-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-3-pyridinyl]thiophen-2-amine
PubChem CID145155828
Molecular FormulaC19H21F3N4S
Molecular Weight394.47 g/mol
Exact Mass394.14
IUPAC NameN,N-dipropyl-5-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-3-pyridinyl]thiophen-2-amine
SMILESCCCN(CCC)c1ccc(-c2ccc(-c3cc(C(F)(F)F)[nH]n3)nc2)s1
InChIInChI=1S/C19H21F3N4S/c1-3-9-26(10-4-2)18-8-7-16(27-18)13-5-6-14(23-12-13)15-11-17(25-24-15)19(20,21)22/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,24,25)
InChIKeyKNYMXTCGQWPAFU-UHFFFAOYSA-N
XLogP5.85
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.47
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dipropyl-5-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-3-pyridinyl]thiophen-2-amine?
The IUPAC name of N,N-dipropyl-5-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-3-pyridinyl]thiophen-2-amine (CID 145155828) is N,N-dipropyl-5-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-3-pyridinyl]thiophen-2-amine.
What is the SMILES notation for N,N-dipropyl-5-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-3-pyridinyl]thiophen-2-amine?
The canonical SMILES for N,N-dipropyl-5-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-3-pyridinyl]thiophen-2-amine is CCCN(CCC)c1ccc(-c2ccc(-c3cc(C(F)(F)F)[nH]n3)nc2)s1.
What is the InChIKey of N,N-dipropyl-5-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-3-pyridinyl]thiophen-2-amine?
The InChIKey is KNYMXTCGQWPAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4S/c1-3-9-26(10-4-2)18-8-7-16(27-18)13-5-6-14(23-12-13)15-11-17(25-24-15)19(20,21)22/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,24,25).
What are the key properties of N,N-dipropyl-5-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-3-pyridinyl]thiophen-2-amine?
N,N-dipropyl-5-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-3-pyridinyl]thiophen-2-amine has a molecular weight of 394.47 g/mol, XLogP of 5.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipropyl-5-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-3-pyridinyl]thiophen-2-amine is sourced from PubChem (CID 145155828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).